SCHEMBL23219037

SCHEMBL23219037

CCOC(=O)Cc1ccccc1OCc1coc2c1cc(-c1ccnc(CN)c1)c1occc12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CFD P00746 13/20 0.47
TBXAS1 P24557 1/20 0.37
DPP4 P27487 2/20 0.34
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
PLG P00747 1/20 0.33
PLAU P00749 1/20 0.33
F11 P03951 1/20 0.33
KLKB1 P03952 1/20 0.33
F7 P08709 1/20 0.33
TPSB2 P20231 1/20 0.33
TDP1 Q9NUW8 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29852433 1.00 CFD (0.47) CFDTBXAS1DPP4TP53MAPT
SCHEMBL23229055 0.90 CFD (0.40) CFDTBXAS1TP53MAPTTHRB
SCHEMBL29592511 0.89 CFD (0.56) CFDPLGPLAUF11KLKB1
SCHEMBL23218509 0.89 CFD (0.56) CFDPLGPLAUF11KLKB1
SCHEMBL23219180 0.88 CFD (0.50) CFDPLGPLAUF11KLKB1
SCHEMBL21438156 0.88 CFD (0.48) CFDTBXAS1DPP4PLGPLAU
SCHEMBL29853039 0.88 CFD (0.50) CFDPLGPLAUF11KLKB1
SCHEMBL29591368 0.88 CFD (0.50) CFDPLGPLAUF11KLKB1
SCHEMBL29852577 0.86 CFD (0.37) CFDTBXAS1TP53MAPTTHRB
SCHEMBL23219245 0.86 CFD (0.50) CFDTBXAS1DPP4MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021072198-A1 ORAL COMPLEMENT FACTOR D INHIBITORS BIOCRYST PHARMACEUTICALS, INC. (US) 2021-04-15 WO disclosed